[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO5/c1-14-19-8-18(28-2)3-4-20(19)30-22(14)23(27)29-12-21(26)25-13-24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,25,26)